SCHEMBL17444359

SCHEMBL17444359

CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.68
OPRL1 P41146 11/20 0.68
MGLL Q99685 2/20 0.53
OPRK1 P41145 2/20 0.50
HRH3 Q9Y5N1 3/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD11B1 P28845 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17444083 0.93 OPRM1 (0.63) OPRM1OPRL1
SCHEMBL17444269 0.89 OPRM1 (0.58) OPRM1OPRL1CHRM2
SCHEMBL17439016 0.86 OPRM1 (0.71) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL19159719 0.86 MGLL (0.66) MGLLHRH3CHRM2CHRM3
SCHEMBL17438840 0.84 OPRM1 (0.68) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17444409 0.83 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL17443958 0.83 OPRL1 (0.60) OPRM1OPRL1OPRK1
SCHEMBL17444302 0.83 OPRM1 (0.54) OPRM1OPRL1MGLLHRH3
SCHEMBL17438816 0.83 OPRM1 (0.67) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL17444263 0.82 OPRM1 (0.59) OPRM1OPRL1OPRK1HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP claimed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US claimed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 OPRM1 2/4885OPRL1 1/4885MGLL 1370/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.